Detailed information for compound 1233928

Basic information

Technical information
  • TDR Targets ID: 1233928
  • Name: N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2H-triaz ol-4-ylsulfanyl)acetamide
  • MW: 240.242 | Formula: C7H8N6O2S
  • H donors: 2 H acceptors: 5 LogP: -0.02 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1nonc1C)CSc1c[nH]nn1
  • InChi: 1S/C7H8N6O2S/c1-4-7(12-15-11-4)9-5(14)3-16-6-2-8-13-10-6/h2H,3H2,1H3,(H,8,10,13)(H,9,12,14)
  • InChiKey: VVJWHRNHHJCJSJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2H-triazol-4-ylthio)acetamide
  • N-(4-methylfurazan-3-yl)-2-(2H-triazol-4-ylthio)acetamide
  • N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2H-1,2,3-triazol-4-ylsulfanyl)ethanamide
  • ASN 12711445
  • N-(4-Methyl-furazan-3-yl)-2-(3H-[1,2,3]triazol-4-ylsulfanyl)-acetamide
  • STK243216

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni ap endonuclease 0.0018 0.0544 0.0544
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.2238 0.2238
Loa Loa (eye worm) hypothetical protein 0.0043 0.2153 0.3148
Leishmania major hypothetical protein, unknown function 0.0043 0.2153 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.3342 0.4888
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0949 0.2518
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0544 0.0544
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0043 0.2153 1
Schistosoma mansoni hypothetical protein 0.0166 1 1
Brugia malayi prolyl 4-hydroxylase 0.0043 0.2153 0.3148
Trypanosoma brucei 2OG-Fe(II) oxygenase superfamily, putative 0.0043 0.2153 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0949 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3342 0.3342
Toxoplasma gondii hypoxia- inducible factor prolyl hydroxylase (phd2), putative 0.0043 0.2153 1
Brugia malayi MH2 domain containing protein 0.0116 0.6837 1
Loa Loa (eye worm) prolyl 4-hydroxylase 2 0.0043 0.2153 0.3148
Toxoplasma gondii oxidoreductase, 2OG-Fe(II) oxygenase family protein 0.0043 0.2153 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.2238 0.2238
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0544 0.5
Toxoplasma gondii oxidoreductase, 2OG-Fe(II) oxygenase family protein 0.0043 0.2153 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0077 0.0077
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0544 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0544 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0544 0.0544
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0077 0.0077
Brugia malayi hypothetical protein 0.0025 0.0949 0.1388
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3342 0.3342
Echinococcus multilocularis prolyl 4 hydroxylase subunit alpha 1 0.0043 0.2153 0.2153
Schistosoma mansoni prolyl 4-hydroxylase alpha subunit 1 0.0043 0.2153 0.2153
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0949 0.2518
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0949 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0544 0.0796
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0544 0.0796
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2238 0.2238
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.2238 0.2238
Loa Loa (eye worm) hypothetical protein 0.0043 0.2153 0.3148
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.6837 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.3342 0.4888
Toxoplasma gondii tetratricopeptide repeat-containing protein 0.0043 0.2153 1
Onchocerca volvulus 0.0043 0.2153 1
Brugia malayi TAR-binding protein 0.0062 0.3342 0.4888
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0544 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0544 0.5
Schistosoma mansoni hypothetical protein 0.0166 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3342 0.3342
Leishmania major hypothetical protein, conserved 0.0043 0.2153 1
Schistosoma mansoni ap endonuclease 0.0018 0.0544 0.0544
Brugia malayi hypothetical protein 0.0016 0.0389 0.0569
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0544 0.5
Loa Loa (eye worm) TAR-binding protein 0.0062 0.3342 0.4888
Brugia malayi RNA binding protein 0.0062 0.3342 0.4888
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2238 0.2238
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0043 0.2153 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0949 0.2518
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.6837 1
Schistosoma mansoni hypothetical protein 0.0011 0.0077 0.0077
Leishmania major hypothetical protein, conserved 0.0025 0.0949 0.2518
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0949 0.2518
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.3342 0.4888
Echinococcus multilocularis geminin 0.0166 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0544 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2238 0.2238
Echinococcus granulosus tar DNA binding protein 0.0062 0.3342 0.3342
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.2238 0.3273
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3342 0.3342
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.2238 0.3273
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0949 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.2238 0.2238
Echinococcus granulosus prolyl 4 hydroxylase subunit alpha 1 0.0043 0.2153 0.2153
Echinococcus multilocularis tar DNA binding protein 0.0062 0.3342 0.3342
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3342 0.3342
Loa Loa (eye worm) hypothetical protein 0.0025 0.0949 0.1388
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0544 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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